Literature DB >> 19075600

Partial order theory applied to QSPR-QSAR studies.

Pablo R Duchowicz1, Eduardo A Castr.   

Abstract

There exists a great amount of information on ranking methods provided in the literature, a new appealing methodology that is generally dealt in a so mathematical fashion. Ranking strategies are applied in a wide range of scientific fields, such as Decision Support, Toxicology, Environmental Research, Analytical Chemistry, Food Chemistry, QSPR-QSAR, etc. When contrasted to other multi-criteria data analyzes, Partial Order Ranking results in a very transparent and suitable way to perform comparisons among a set of objects (such as molecules) according to their attributes (molecular descriptors) values. The scope of this review is to explore such sorting ideas and to provide the non-specialist reader with insights into this formalism applied to QSPR-QSAR studies. Several concepts are explained, revising some of the research developed by different experts on the topic.

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Year:  2008        PMID: 19075600     DOI: 10.2174/138620708786734316

Source DB:  PubMed          Journal:  Comb Chem High Throughput Screen        ISSN: 1386-2073            Impact factor:   1.339


  1 in total

1.  Meta-heuristics on quantitative structure-activity relationships: study on polychlorinated biphenyls.

Authors:  Lorentz Jäntschi; Sorana D Bolboacă; Radu E Sestraş
Journal:  J Mol Model       Date:  2009-07-17       Impact factor: 1.810

  1 in total

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